SCHEMBL13323770

SCHEMBL13323770

CCCCCc1cccc(C(=O)NC(C)CO)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
HPGD P15428 1/20 0.48
MAP1LC3B Q9GZQ8 1/20 0.47
MAP1LC3A Q9H492 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMPD1 P17405 1/20 0.46
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2763884 0.99 SPHK2 (0.54) SPHK2SPHK1CYP4F2CYP4A11HPGD
SCHEMBL13324059 0.89 CYP4F2 (0.55) CYP4F2CYP4A11HPGDSMN1; SMN2ATM
SCHEMBL13323630 0.87 HPGD (0.49) CYP4F2CYP4A11HPGDSMN1; SMN2ATM
SCHEMBL2632341 0.86 HPGD (0.50) CYP4F2CYP4A11HPGDSMN1; SMN2ATM
SCHEMBL2764944 0.85 CYP4F2 (0.45) SPHK2SPHK1CYP4F2CYP4A11HPGD
SCHEMBL13323833 0.85 HPGD (0.46) CYP4F2CYP4A11HPGDSMN1; SMN2ALDH1A1
SCHEMBL13323527 0.84 CYP4F2 (0.44) CYP4F2CYP4A11HPGDSMN1; SMN2ATM
SCHEMBL13323521 0.84 SMN1; SMN2 (0.46) CYP4F2CYP4A11HPGDSMN1; SMN2ATM
SCHEMBL13324060 0.84 CYP4F2 (0.49) CYP4F2CYP4A11HPGDSMN1; SMN2ATM
SCHEMBL17049469 0.83 CYP4F2 (0.43) SPHK2SPHK1CYP4F2CYP4A11HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293796-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2012-10-23 US disclosed
US-20100144876-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2010-06-10 US disclosed
US-7696382-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2010-04-13 US disclosed
US-20080114062-A1 Modulator UNIVERSITY COLLEGE LONDON WOLFSON INSTITUTE FOR BIOMEDICAL RESEARCH (GB) 2008-05-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080114062-A1 Modulator CHRNA3, CHRM3, NR3C2 SPHK2 3218/4885SPHK1 3550/4885CYP4F2 380/4885
US-20100144876-A1 MODULATOR CHRNA3, CHRM3, NR3C2 SPHK2 3218/4885SPHK1 3550/4885CYP4F2 380/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.